3-[[(3R)-1-(4-sulfamoylbutanoyl)pyrrolidin-3-yl]methyl]benzamide

C16H23N3O4S — CID 95724298

IUPAC3-[[(3R)-1-(4-sulfamoylbutanoyl)pyrrolidin-3-yl]methyl]benzamide
SMILESNC(=O)c1cccc(C[C@@H]2CCN(C(=O)CCCS(N)(=O)=O)C2)c1
InChIInChI=1S/C16H23N3O4S/c17-16(21)14-4-1-3-12(10-14)9-13-6-7-19(11-13)15(20)5-2-8-24(18,22)23/h1,3-4,10,13H,2,5-9,11H2,(H2,17,21)(H2,18,22,23)/t13-/m0/s1
InChIKeyUPNDANDVTMCWIW-ZDUSSCGKSA-N
MW353.44 g/mol
LogP0.25
Rot. Bonds7

About 3-[[(3R)-1-(4-sulfamoylbutanoyl)pyrrolidin-3-yl]methyl]benzamide

3-[[(3R)-1-(4-sulfamoylbutanoyl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 95724298) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 3-[[(3R)-1-(4-sulfamoylbutanoyl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[(3R)-1-(4-sulfamoylbutanoyl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID95724298
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name3-[[(3R)-1-(4-sulfamoylbutanoyl)pyrrolidin-3-yl]methyl]benzamide
SMILESNC(=O)c1cccc(C[C@@H]2CCN(C(=O)CCCS(N)(=O)=O)C2)c1
InChIInChI=1S/C16H23N3O4S/c17-16(21)14-4-1-3-12(10-14)9-13-6-7-19(11-13)15(20)5-2-8-24(18,22)23/h1,3-4,10,13H,2,5-9,11H2,(H2,17,21)(H2,18,22,23)/t13-/m0/s1
InChIKeyUPNDANDVTMCWIW-ZDUSSCGKSA-N
XLogP0.25
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[[(3R)-1-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]pyrrolidin-3-yl]methyl]benzamide
CID 95724796
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3-[[(3R)-1-[2-[cyclopentyl(methyl)amino]acetyl]pyrrolidin-3-yl]methyl]benzamide
CID 95728061
3-[[(3R)-1-[3-(2,3-dihydroindol-1-yl)propanoyl]pyrrolidin-3-yl]methyl]benzamide
CID 95709196
3-[(1-butanoylpyrrolidin-3-yl)methyl]benzoic acid
CID 56904595
3-[[(3S)-1-(azepan-1-ylsulfonyl)pyrrolidin-3-yl]methyl]benzamide
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CID 97134086
3-[[(3S)-1-[2-(2,3-dimethylphenoxy)acetyl]pyrrolidin-3-yl]methyl]benzamide
CID 95729048
3-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide
CID 72937568
3-[[1-(4-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-1-(4-sulfamoylbutanoyl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3-[[(3R)-1-(4-sulfamoylbutanoyl)pyrrolidin-3-yl]methyl]benzamide (CID 95724298) is 3-[[(3R)-1-(4-sulfamoylbutanoyl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-[[(3R)-1-(4-sulfamoylbutanoyl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3-[[(3R)-1-(4-sulfamoylbutanoyl)pyrrolidin-3-yl]methyl]benzamide is NC(=O)c1cccc(C[C@@H]2CCN(C(=O)CCCS(N)(=O)=O)C2)c1.
What is the InChIKey of 3-[[(3R)-1-(4-sulfamoylbutanoyl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is UPNDANDVTMCWIW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O4S/c17-16(21)14-4-1-3-12(10-14)9-13-6-7-19(11-13)15(20)5-2-8-24(18,22)23/h1,3-4,10,13H,2,5-9,11H2,(H2,17,21)(H2,18,22,23)/t13-/m0/s1.
What are the key properties of 3-[[(3R)-1-(4-sulfamoylbutanoyl)pyrrolidin-3-yl]methyl]benzamide?
3-[[(3R)-1-(4-sulfamoylbutanoyl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 353.44 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-1-(4-sulfamoylbutanoyl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 95724298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).